cyclopenta-1,4-dien-1-ylbenzene; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; dichloride

Systemtic Name: cyclopenta-1,4-dien-1-ylbenzene; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; dichloride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 9H-fluoren-9-ide; dichloride CAS Name: 1-cyclopenta-1,4-dienylbenzene; (diphenylmethylene)zirconium(2+); 9H-fluoren-9-ide; dichloride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,4-dien-1-ylbenzene; 9H-fluoren-9-ide; dichloride Formula: C74H56Cl2Zr2-2 MolecularWeight: 1198.59044

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=[C-]1)C2=CC=CC=C2.C1C=CC(=[C-]1)C2=CC=CC=C2.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

C1C=CC(=[C-]1)C2=CC=CC=C2.C1C=CC(=[C-]1)C2=CC=CC=C2.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C13H9.2C13H10.2C11H9.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-6-10(7-3-1)11-8-4-5-9-11;;;;/h2*1-9H;2*1-10H;2*1-4,6-8H,5H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2